(1-cyclohexyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide

Systemtic Name: (1-cyclohexyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: (1-cyclohexyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1-cyclohexyl-1-methyl-3-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1-cyclohexyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1-cyclohexyl-1-methyl-pyrrolidin-1-ium-3-yl) ester bromide Formula: C24H36BrNO3 MolecularWeight: 466.45154

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C4CCCCC4.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C4CCCCC4.[Br-]

InChI

InChI=1S/C24H36NO3.BrH/c1-25(21-14-6-3-7-15-21)17-16-22(18-25)28-23(26)24(27,20-12-8-9-13-20)19-10-4-2-5-11-19;/h2,4-5,10-11,20-22,27H,3,6-9,12-18H2,1H3;1H/q+1;/p-1